⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3774822 | 0.85 | MMP13 (0.38) | — | |
| SCHEMBL548225 | 0.83 | CA1 (0.33) | — | |
| SCHEMBL3130050 | 0.82 | CA1 (0.34) | — | |
| SCHEMBL1804151 | 0.82 | CA1 (0.34) | — | |
| SCHEMBL8647742 | 0.80 | — | — | |
| SCHEMBL5165947 | 0.79 | NR3C1 (0.31) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL63998 | 0.78 | GPR3 (0.37) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL64048 | 0.78 | GPR3 (0.37) | — | |
| SCHEMBL546356 | 0.78 | HSD11B1 (0.31) | — | |
| SCHEMBL8319641 | 0.76 | HTT (0.35) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8809476-B2 | Polymer | JSR CORPORATION (JP) | 2014-08-19 | — | — | US | disclosed |
| US-20130053526-A1 | POLYMER | JSR CORPORATION (JP) | 2013-02-28 | — | — | US | disclosed |
| US-8334087-B2 | Polymer, radiation-sensitive composition, monomer, and method of producing compound | JSR CORPORATION (JP) | 2012-12-18 | — | — | US | disclosed |
| US-20100310987-A1 | POLYMER, RADIATION-SENSITIVE COMPOSITION, MONOMER, AND METHOD OF PRODUCING COMPOUND | JSR CORPORATION (JP) | 2010-12-09 | — | — | US | disclosed |